4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione

C6H8N6S — CID 16637160

IUPAC4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCc1cc(-c2n[nH]c(=S)n2N)n[nH]1
InChIInChI=1S/C6H8N6S/c1-3-2-4(9-8-3)5-10-11-6(13)12(5)7/h2H,7H2,1H3,(H,8,9)(H,11,13)
InChIKeyLXXGXEZHAPITAL-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.35
Rot. Bonds1

About 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione

4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 16637160) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
PubChem CID16637160
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCc1cc(-c2n[nH]c(=S)n2N)n[nH]1
InChIInChI=1S/C6H8N6S/c1-3-2-4(9-8-3)5-10-11-6(13)12(5)7/h2H,7H2,1H3,(H,8,9)(H,11,13)
InChIKeyLXXGXEZHAPITAL-UHFFFAOYSA-N
XLogP0.35
TPSA88.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-(3-ethyl-1-methyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 839209
4-amino-5-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
CID 850409
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CID 842596
1-methyl-3-[2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethyl]thiourea
CID 57323811
4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
CID 4775341
4-amino-3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006453
4-amino-3-(1,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006454
4-amino-3-(1-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006455
4-amino-3-(5-methyl-2-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006456
4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006457
4-amino-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006458
4-amino-3-(5-methyl-1-propan-2-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006459

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CID 16637160) is 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is Cc1cc(-c2n[nH]c(=S)n2N)n[nH]1.
What is the InChIKey of 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is LXXGXEZHAPITAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-3-2-4(9-8-3)5-10-11-6(13)12(5)7/h2H,7H2,1H3,(H,8,9)(H,11,13).
What are the key properties of 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 196.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 16637160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).